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Massively parallelized replica-exchange simulations of polymers on GPUs
GPU CUDA Monte Carlo simulations parallel tempering polymers structural transitions
2011/8/5
Abstract: We discuss the advantages of parallelization by multithreading on graphics processing units (GPUs) for parallel tempering Monte Carlo computer simulations of an exemplified bead-spring model...
Quantum Monte Carlo facing the Hartree-Fock symmetry dilemma: The case of hydrogen rings
Quantum Monte Carlo Hartree-Fock hydrogen rings
2011/8/5
Abstract: When using Hartree-Fock (HF) trial wave functions in quantum Monte Carlo calculations, one faces, in case of HF instabilities, the HF symmetry dilemma in choosing between the symmetry-adapte...
A framework for the analysis of scattering from complex objects using locally smooth surface parametrizations and the generalized method of moments
Generalized method of moments Locally smooth surface parametrizations Integral equations Acoustic scattering
2011/8/5
Abstract: The analysis of acoustic scattering from complex geometries is a problem with wide ranging applications from material evaluation to nondestructive testing, to diagnostic medicine. The abilit...
3D Imaging of a Phase Object from a Single Sample Orientation Using an Optical Laser
3D Imaging Single Sample Orientation Optical Laser
2011/8/4
Abstract: We acquire coherent diffraction patterns of a microscale phase object at a single sample orientation by using an optical laser. The diffraction patterns are projected onto a spherical shell ...
Minimal Number of Discrete Velocities for a Flow Description
Minimal Number Discrete Velocities Flow Description
2011/8/17
Abstract: It seems intuitively correct to describe fluid flows by using fictitious particles hopping on homogeneously separated nodes with a given finite set of discrete velocities, however, it is not...
Minimal Number of Discrete Velocities for a Flow Description
Minimal Number of Discrete Velocities Computational Physics Fluid Dynamics
2011/9/13
Abstract: It seems intuitively correct to describe fluid flows by using fictitious particles hopping on homogeneously separated nodes with a given finite set of discrete velocities, however, it is not...
On Measurement and Computation
Quantum Computation Physical Computation computational complexity
2011/8/4
Abstract: Inspired by the work of Feynman, Deutsch, We formally propose the theory of physical computability and accordingly, the physical complexity theory. To achieve this, a framework that can eval...
Granular packings of cohesive elongated particles
Granular matter Molecular Dynamics nonspherical particles Quicksand Collapsible soil
2011/8/17
Abstract: We report numerical results of effective attractive forces on the packing properties of two-dimensional elongated grains. In deposits of non-cohesive rods in 2D, the topology of the packing ...
A combined high-pressure experimental and theoretical study of the electronic band-structure of scheelite-type AWO4 (A = Ca, Sr, Ba, Pb) compounds
high-pressure experimental theoretical study the electronic band-structure scheelite-type AWO4
2011/8/17
Abstract: The optical-absorption edge of single crystals of CaWO4, SrWO4, BaWO4, and PbWO4 has been measured under high pressure up to ~20 GPa at room temperature. From the measurements we have obtain...
An O(N) Method for Rapidly Computing Periodic Potentials Using Accelerated Cartesian Expansions
Accelerated Cartesian Expansion ACE Fast Multipole Methods Periodic Systems
2011/8/4
Abstract: The evaluation of long-range potentials in periodic, many-body systems arises as a necessary step in the numerical modeling of a multitude of interesting physical problems. Direct evaluation...
Driven Langevin dynamics: heat, work and pseudo-work
Driven Langevin dynamics heat pseudo-work Statistical Mechanics
2011/8/17
Abstract: Common algorithms for simulating Langevin dynamics are neither statistically time-reversible, nor do they preserve the equilibrium distribution. Instead, even with a time-independent Hamilto...
Surface tension of multi-phase flow with multiple junctions governed by the variational principle
multi-phase flowsurface tensionmultiple junctionvolume preserving diffeomorphism
2011/8/17
Abstract: We explore a computational model of an incompressible fluid with a multi-phase field in three-dimensional Euclidean space. By investigating an incompressible fluid with a two-phase field geo...
On direct inverse of Stokes, Helmholtz and Laplacian operators in view of time-stepper-based Newton and Arnoldi solvers in incompressible CFD
Stoke Helmholtz Laplacian operators time-stepper-based Newton Arnoldi solvers incompressible CFD
2011/8/4
Abstract: Factorization of the incompressible Stokes operator linking pressure and velocity is revisited. The main purpose is to use the inverse of the Stokes operator with a large time step as a prec...
We report on our implementation of the RHMC algorithm for the simulation of lattice QCD with two staggered flavors on Graphics Processing Units, using the NVIDIA CUDA programming language. The main fe...
Controlled pattern retrieval in a designed energy landscape
phase oscillators pattern retrieval cluster partition
2011/8/16
Abstract: We construct a network of N globally coupled phase oscillators with a designed energy landscape. The oscillator dynamics is derived as gradient dynamics of this energy function. The network ...